N-(2-bromanyl-4-methyl-phenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxidanylidene-isoquinolin-2-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[(4-methyl-1-piperidyl)sulfonyl]-1-oxo-2-isoquinolyl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[(4-methyl-1-piperidinyl)sulfonyl]-1-oxo-2-isoquinolinyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)sulfonyl-1-oxoisoquinolin-2-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[1-keto-4-(4-methylpiperidino)sulfonyl-2-isoquinolyl]acetamide Formula: C24H26BrN3O4S MolecularWeight: 532.44994

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NC4=C(C=C(C=C4)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CN(C(=O)C3=CC=CC=C32)CC(=O)NC4=C(C=C(C=C4)C)Br

InChI

InChI=1S/C24H26BrN3O4S/c1-16-9-11-28(12-10-16)33(31,32)22-14-27(24(30)19-6-4-3-5-18(19)22)15-23(29)26-21-8-7-17(2)13-20(21)25/h3-8,13-14,16H,9-12,15H2,1-2H3,(H,26,29)